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Isothiazole, 3-bromo-, also known as 3-bromo-1,2,4-isothiazole, is a heterocyclic chemical compound with the molecular formula C3H2BrNS. It features a five-membered ring structure that includes a sulfur atom and a nitrogen atom. Isothiazole, 3-bromois widely recognized for its utility as a building block in the synthesis of pharmaceuticals and agrochemicals, as well as a reagent in organic synthesis for the introduction of the isothiazole ring into various molecules. Its applications extend across the fields of medicinal chemistry, where it serves as a valuable tool for the development of new drugs and biologically active compounds, and potentially into materials science and the study of chemical and biological processes.

55512-82-8

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55512-82-8 Usage

Uses

Used in Pharmaceutical Synthesis:
Isothiazole, 3-bromo-, is used as a key intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into the molecular structures of various drugs. Its presence in drug molecules can contribute to the enhancement of pharmacological properties, such as potency, selectivity, and bioavailability.
Used in Agrochemical Development:
In the agrochemical industry, 3-bromo-isothiazole serves as a building block for the creation of new agrochemicals, potentially leading to the development of more effective and targeted pesticides, herbicides, and other crop protection agents.
Used in Organic Synthesis:
As a reagent in organic synthesis, 3-bromo-isothiazole is used to introduce the isothiazole ring into different organic molecules. This can lead to the formation of novel compounds with unique chemical and biological properties, useful in various applications, including the development of new materials and the study of chemical reactions.
Used in Medicinal Chemistry Research:
Isothiazole, 3-bromo-, is utilized in medicinal chemistry research as a valuable tool for the design and synthesis of new biologically active compounds. Its incorporation into drug candidates can lead to the discovery of new therapeutic agents with improved efficacy and selectivity against various diseases and conditions.
Used in Materials Science:
Although not explicitly mentioned in the provided materials, 3-bromo-isothiazole may also have potential uses in materials science. Its unique structure and properties could contribute to the development of new materials with specific characteristics, such as improved stability, reactivity, or selectivity in various applications.
Used in Chemical and Biological Process Studies:
Isothiazole, 3-bromomay also be employed in the study of chemical and biological processes, providing insights into reaction mechanisms, molecular interactions, and the behavior of isothiazole-containing compounds in different environments. This can further aid in the optimization of synthesis methods and the development of new applications for isothiazole derivatives.

Check Digit Verification of cas no

The CAS Registry Mumber 55512-82-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,5,5,1 and 2 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 55512-82:
(7*5)+(6*5)+(5*5)+(4*1)+(3*2)+(2*8)+(1*2)=118
118 % 10 = 8
So 55512-82-8 is a valid CAS Registry Number.
InChI:InChI=1/C3H2BrNS/c4-3-1-2-6-5-3/h1-2H

55512-82-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromoisothiazole

1.2 Other means of identification

Product number -
Other names 3-bromo-1,2-thiazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:55512-82-8 SDS

55512-82-8Upstream product

55512-82-8Downstream Products

55512-82-8Relevant academic research and scientific papers

Synthesis of bromine- and iodine-containing perhaloisothiazoles

Zlotin, S. G.,Kislitsin, P. G.,Luk'yanov, O. A.

, p. 1792 - 1794 (1997)

A method was developed for the synthesis of bromine- and iodine-containing perhaloisothiazoles by bromination and iodination of 3-bromoisothiazole prepared from the available 3-hydroxyisothiazol. - Key words: isothiazole; 3-bromoisothiazole, bromination, iodination; polyhaloisothiazoles.

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